benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium thiocyanate
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium thiocyanate
| Molecular Formula | C28H42N2O2S |
|---|---|
| Molecular Weight | 470.7 g/mol |
| Topological Polar Surface Area | 43.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 470.2967 |
| Heavy Atoms | 33 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 64048-43-7 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.C(#N)[S-] |
| InChIKey | OGHTWVWGJZOCIQ-UHFFFAOYSA-M |
📖 Product Overview
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium thiocyanate (CAS: 64048-43-7) is a chemical compound with molecular formula C28H42N2O2S and molecular weight 470.7 g/mol. Its IUPAC systematic name is benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium thiocyanate.
OGHTWVWGJZOCIQ-UHFFFAOYSA-M.
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.C(#N)[S-].
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